3-(1-ethyl-1H-imidazol-2-yl)-1-(3-phenylpropyl)piperidine

• ChemBase ID: 361853
• Molecular Formular: C19H27N3
• Molecular Mass: 297.43778
• Monoisotopic Mass: 297.22049788
• SMILES: c1(C2CN(CCCc3ccccc3)CCC2)n(ccn1)CC
• Canonical SMILES: CCn1ccnc1C1CCCN(C1)CCCc1ccccc1
• InChI: InChI=1S/C19H27N3/c1-2-22-15-12-20-19(22)18-11-7-14-21(16-18)13-6-10-17-8-4-3-5-9-17/h3-5,8-9,12,15,18H,2,6-7,10-11,13-14,16H2,1H3
• InChIKey: AMEVQXCBXOYTNW-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-(1-ethyl-1H-imidazol-2-yl)-1-(3-phenylpropyl)piperidine
• IUPAC Traditional name: 3-(1-ethylimidazol-2-yl)-1-(3-phenylpropyl)piperidine
• Synonyms: 3-(1-ethyl-1H-imidazol-2-yl)-1-(3-phenylpropyl)piperidine

CALCULATED PROPERTIES

JChem

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): -0.22933052
• LogD (pH = 7.4): 1.5703908
• Log P: 3.6585608
• Molar Refractivity: 92.6397 cm^3
• Polarizability: 35.750183 Å^3
• Polar Surface Area: 21.06 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 2
• H Donor: 0
• Log P: 3.55
• LOG S: -3.39
• Polar Surface Area: 21.06 Å^2
• Rotatable Bonds: 6